5-methyl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one

C9H13N3O — CID 84656985

IUPAC5-methyl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one
SMILESCc1cnc(C2CCCN2)[nH]c1=O
InChIInChI=1S/C9H13N3O/c1-6-5-11-8(12-9(6)13)7-3-2-4-10-7/h5,7,10H,2-4H2,1H3,(H,11,12,13)
InChIKeyYFYYWKXCAAXMPC-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.50
Rot. Bonds1

About 5-methyl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one

5-methyl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one (PubChem CID 84656985) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 5-methyl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methyl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one
PubChem CID84656985
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name5-methyl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one
SMILESCc1cnc(C2CCCN2)[nH]c1=O
InChIInChI=1S/C9H13N3O/c1-6-5-11-8(12-9(6)13)7-3-2-4-10-7/h5,7,10H,2-4H2,1H3,(H,11,12,13)
InChIKeyYFYYWKXCAAXMPC-UHFFFAOYSA-N
XLogP0.50
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-2-pyrrolidin-2-yl-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136151984
3,6-dimethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 20438513
3,6-dimethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-2-one
CID 20438531
(6R)-3,6-dimethyl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidin-4-one
CID 58681908
5-methyl-2-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 148774555
2-butyl-5-methyl-1H-pyrimidin-6-one
CID 161634857
2-(Pyrrolidin-2-yl)pyrimidin-4-ol
CID 63362689
5-ethyl-4-hydroxy-2-pyrrolidin-2-yl-1H-pyrimidin-6-one
CID 63555350
4-hydroxy-5-methyl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one
CID 63555695
5-Iodo-2-methyl-3-(pyrrolidin-2-ylmethyl)pyrimidin-4-one
CID 66340057
2-(1-aminoethyl)-5-methyl-1H-pyrimidin-6-one
CID 82416906
5-methyl-2-(methylaminomethyl)-1H-pyrimidin-6-one
CID 84649770

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-methyl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one (CID 84656985) is 5-methyl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methyl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-methyl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one is Cc1cnc(C2CCCN2)[nH]c1=O.
What is the InChIKey of 5-methyl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one?
The InChIKey is YFYYWKXCAAXMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-6-5-11-8(12-9(6)13)7-3-2-4-10-7/h5,7,10H,2-4H2,1H3,(H,11,12,13).
What are the key properties of 5-methyl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one?
5-methyl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one has a molecular weight of 179.22 g/mol, XLogP of 0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-pyrrolidin-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 84656985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).